*********** PTASSAMj00 ******** FILEIN user.vek ../../CSA/PIK_SPRITE/ ULMNm 3 1eo7_c00 CYCLODEXTRIN GLYCOSYLTRANSFERASE user 1 3 RMSD = 1.00 A TRANSFORM 0.3986 0.1818 0.8989 0.9075 -0.2200 -0.3579 -0.1327 -0.9584 0.2527 -16.602 9.022 45.306 A 229 ALA A 46 ALA~? A 257 ALA A 47 ALA~? A 328 ASP A 102 ASP.? ULMNm 3 1bvz_c09 ALPHA-AMYLASE II user 1 3 RMSD = 1.01 A TRANSFORM -0.3396 0.8134 0.4723 -0.4940 0.2730 -0.8255 0.8004 0.5137 -0.3091 1.138 42.921 16.372 B 325 ASP A 98 ASP^? B 354 GLU A 96 GLU^? B 421 ASP A 14 ASP~? ULMNm 3 2tdt_c00 TETRAHYDRODIPICOLINATE N-SUCCINYLTRAuser 2 3 RMSD = 1.06 A TRANSFORM 0.4763 -0.1138 0.8719 -0.7694 -0.5339 0.3506 -0.4256 0.8378 0.3418 -45.279 35.562 -37.865 141 ASP A 31 ASP~? 166 GLY A 67 GLY~? 169 GLU A 64 GLU~? ULMNm 3 1bvz_c08 ALPHA-AMYLASE II user 1 3 RMSD = 1.09 A TRANSFORM 0.3815 -0.8034 -0.4573 0.0235 -0.4861 0.8736 0.9241 0.3440 0.1665 53.618 37.895 13.619 A 325 ASP A 98 ASP^? A 354 GLU A 96 GLU^? A 421 ASP A 14 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 1 3 RMSD = 1.11 A TRANSFORM -0.6287 -0.7667 0.1301 -0.1924 -0.0088 -0.9813 -0.7534 0.6420 0.1419 91.935 62.834 8.238 A 67 ASP A 31 ASP~? A 68 ALA A 30 ALA~? A 72 LEU A 29 LEU~? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.12 A TRANSFORM 0.2468 0.1605 -0.9557 0.8788 -0.4526 0.1510 0.4084 0.8771 0.2527 57.038 -134.023 -190.063 A 420 ALA A 54 ALA.? B 182 GLY A 105 GLY.? B 183 GLY A 52 GLY.? ULMNm 3 1xny_c01 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.14 A TRANSFORM -0.4869 -0.4469 0.7505 0.5686 0.4901 0.6607 0.6630 -0.7484 -0.0155 53.281 -172.941 -131.248 A 420 ALA A 47 ALA~? B 182 GLY A 52 GLY.? B 183 GLY A 105 GLY.? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 1 3 RMSD = 1.18 A TRANSFORM -0.0603 -0.9740 -0.2184 -0.2284 0.2264 -0.9469 -0.9717 0.0072 0.2361 91.863 -32.837 -105.896 A 183 GLY A 77 GLY~? B 419 GLY A 78 GLY~? B 420 ALA A 74 ALA^? ULMNm 3 1uok_c04 OLIGO-1,6-GLUCOSIDASE user 1 3 RMSD = 1.24 A TRANSFORM -0.7072 -0.3834 0.5940 0.6016 -0.7677 0.2207 -0.3715 -0.5134 -0.7736 70.398 27.010 67.991 199 ASP A 98 ASP^? 218 GLU A 68 GLU.? 329 ASP A 14 ASP~? ULMNm 3 1avf_c05 GASTRICSIN user 1 3 RMSD = 1.33 A TRANSFORM -0.1893 0.1924 -0.9629 -0.9579 0.1793 0.2242 -0.2158 -0.9648 -0.1504 4.059 -5.246 70.067 J 32 ASP A 28 ASP~? J 35 SER A 25 SER~? J 217 ASP A 31 ASP~? ULMNm 3 1q6l_c05 3-KETO-L-GULONATE 6-PHOSPHATE DECARBuser 2 3 RMSD = 1.34 A TRANSFORM -0.5601 0.5809 0.5907 0.8262 0.3386 0.4504 -0.0616 -0.7402 0.6695 33.243 -48.696 23.293 A 67 ASP A 98 ASP^? A 68 ALA A 97 ALA^? A 72 LEU A 58 LEU^? ULMNm 3 1euu_c00 SIALIDASE user 1 3 RMSD = 1.35 A TRANSFORM 0.0574 -0.6226 0.7804 -0.6843 0.5446 0.4849 0.7269 0.5619 0.3948 -6.393 -44.478 -39.472 92 ASP A 31 ASP~? 260 GLU A 73 GLU^? 370 TYR A 85 TYR.? ULMNm 3 1geq_c02 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 RMSD = 1.36 A TRANSFORM -0.3588 0.5159 0.7779 -0.3798 0.6805 -0.6266 0.8526 0.5203 0.0483 -14.229 23.063 24.174 A 36 GLU A 73 GLU^? A 47 ASP A 28 ASP~? A 161 TYR A 85 TYR.? ULMNm 3 1geq_c03 TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT user 1 3 RMSD = 1.37 A TRANSFORM 0.3885 -0.6113 0.6895 0.3522 -0.5929 -0.7242 -0.8515 -0.5242 0.0150 42.673 88.351 100.103 B 36 GLU A 73 GLU^? B 47 ASP A 28 ASP~? B 161 TYR A 85 TYR.? ULMNm 3 1mpp_c04 PEPSIN (RENIN) (E.C.3.4.23.23) user 1 3 RMSD = 1.41 A TRANSFORM -0.9071 0.3836 -0.1732 0.1809 0.7269 0.6625 -0.3801 -0.5696 0.7288 41.835 -48.292 32.597 32 ASP A 28 ASP~? 35 SER A 25 SER~? 215 ASP A 31 ASP~? ULMNm 3 1cms_c04 CHYMOSIN B (FORMERLY KNOWN AS RENNINuser 1 3 RMSD = 1.43 A TRANSFORM -0.4734 0.4770 -0.7405 -0.8735 -0.3629 0.3246 0.1138 -0.8005 -0.5884 46.584 51.830 82.530 34 ASP A 28 ASP~? 37 SER A 25 SER~? 216 ASP A 31 ASP~? ULMNm 3 2jxr_c04 LIGAND CP-081282 user 1 3 RMSD = 1.43 A TRANSFORM -0.3901 -0.2773 0.8780 0.9205 -0.1403 0.3647 -0.0220 -0.9505 -0.3100 -31.355 22.624 94.637 A 32 ASP A 28 ASP~? A 35 SER A 25 SER~? A 215 ASP A 31 ASP~? ULMNm 3 1lio_c01 ADENOSINE KINASE user 3 3 RMSD = 1.43 A TRANSFORM -0.8012 0.4346 -0.4114 -0.1201 -0.7902 -0.6009 0.5863 0.4320 -0.6853 65.853 80.498 14.855 A 316 ALA A 103 ALA.? A 317 GLY A 105 GLY.? A 318 ASP A 102 ASP.? ULMNm 3 1b6t_c01 PHOSPHOPANTETHEINE ADENYLYLTRANSFERAuser 2 3 RMSD = 1.44 A TRANSFORM -0.0134 0.6114 -0.7912 -0.9538 0.2296 0.1936 -0.3000 -0.7573 -0.5801 24.234 24.522 109.618 B 18 HIS A 83 HIS^? B 91 ARG A 80 ARG^? B 129 SER A 75 SER.? ULMNm 3 1sme_c05 PLASMEPSIN II user 1 3 RMSD = 1.44 A TRANSFORM 0.6397 -0.6065 -0.4721 -0.0734 -0.6597 0.7480 0.7651 0.4438 0.4665 42.096 91.030 -8.219 B 34 ASP A 28 ASP~? B 37 SER A 25 SER~? B 214 ASP A 31 ASP~? ULMNm 3 2ace_c00 ACETYLCHOLINESTERASE user 1 3 RMSD = 1.44 A TRANSFORM -0.9473 0.1585 0.2784 0.1185 -0.6339 0.7642 -0.2977 -0.7570 -0.5817 16.779 58.452 132.920 200 SER A 75 SER.? 327 GLU A 73 GLU^? 440 HIS A 83 HIS^? ULMNm 3 1bbs_c07 RENIN user 1 3 RMSD = 1.46 A TRANSFORM 0.8743 -0.1918 0.4458 0.4225 -0.1514 -0.8937 -0.2389 -0.9697 0.0513 21.735 78.908 120.322 32 ASP A 28 ASP~? 35 SER A 25 SER~? 215 ASP A 31 ASP~? ULMNm 3 1bbs_c06 RENIN user 1 3 RMSD = 1.46 A TRANSFORM 0.8743 -0.1918 0.4458 0.4225 -0.1514 -0.8937 -0.2389 -0.9697 0.0513 21.735 78.908 120.322 32 ASP A 28 ASP~? 35 SER A 25 SER~? 215 ASP A 31 ASP~? ULMNm 3 1qe3_c00 PARA-NITROBENZYL ESTERASE user 1 3 RMSD = 1.47 A TRANSFORM -0.3161 -0.3243 0.8916 0.2387 -0.9367 -0.2561 -0.9182 -0.1319 -0.3735 -10.605 90.303 108.471 A 189 SER A 75 SER.? A 310 GLU A 73 GLU^? A 399 HIS A 83 HIS^? ULMNm 3 2apr_c04 ACID PROTEINASE (RHIZOPUSPEPSIN) (E.user 1 3 RMSD = 1.47 A TRANSFORM 0.9163 -0.3786 0.1310 0.3976 0.8193 -0.4131 -0.0490 -0.4306 -0.9012 21.748 34.205 163.392 35 ASP A 28 ASP~? 38 SER A 25 SER~? 218 ASP A 31 ASP~? ULMNm 3 1qrz_c22 PLASMINOGEN user 1 3 RMSD = 1.48 A TRANSFORM -0.2536 -0.9649 0.0686 -0.9673 0.2532 -0.0142 0.0036 0.0700 0.9975 49.961 7.166 -38.182 C 603 HIS A 83 HIS^? C 646 ASP A 28 ASP~? C 739 GLY A 67 GLY~? ULMNm 3 1xny_c00 PROPIONYL-COA CARBOXYLASE COMPLEX B user 2 3 RMSD = 1.49 A TRANSFORM 0.5340 -0.2623 -0.8038 -0.0748 0.9323 -0.3540 -0.8422 -0.2491 -0.4782 55.387 -102.637 -65.447 A 183 GLY A 77 GLY~? B 419 GLY A 78 GLY~? B 420 ALA A 79 ALA.? ULMNm 3 1bmt_c04 METHIONINE SYNTHASE (B12-BINDING DOMuser 1 3 RMSD = 1.49 A TRANSFORM -0.9250 0.3241 -0.1982 -0.3793 -0.8173 0.4337 0.0214 -0.4764 -0.8790 55.234 83.784 85.791 A 757 ASP A 28 ASP~? A 759 HIS A 35 HIS^? A 810 SER A 25 SER~? ULMNm 3 1pjh_c02 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.49 A TRANSFORM 0.8582 -0.3202 -0.4012 0.1931 0.9256 -0.3256 -0.4756 -0.2020 -0.8562 6.422 -42.156 193.925 C 70 ALA A 60 ALA^? C 126 LEU A 3 LEU^? C 158 GLU A 62 GLU^? ULMNm 3 1pjh_c01 ENOYL-COA ISOMERASE; ECI1P user 1 3 RMSD = 1.50 A TRANSFORM -0.2693 0.9569 -0.1087 -0.8672 -0.1918 0.4596 -0.4189 -0.2180 -0.8815 -64.468 23.736 194.805 B 70 ALA A 60 ALA^? B 126 LEU A 3 LEU^? B 158 GLU A 62 GLU^? ULMNm 3 1rne_c04 RENIN (ACTIVATED, GLYCOSYLATED, INHIuser 1 3 RMSD = 1.50 A TRANSFORM 0.1970 -0.4293 -0.8814 -0.9592 0.1016 -0.2639 -0.2029 -0.8974 0.3917 61.983 54.433 95.599 32 ASP A 28 ASP~? 35 SER A 25 SER~? 215 ASP A 31 ASP~? ULMNm 3 1qho_c05 ALPHA-AMYLASE user 1 3 RMSD = 1.50 A TRANSFORM -0.6342 -0.6679 0.3895 -0.7572 0.6383 -0.1385 0.1561 0.3828 0.9105 61.445 85.525 -17.715 A 228 ASP A 98 ASP^? A 261 ASP A 28 ASP~? A 329 ASP A 14 ASP~? ULMNm 3 1qrz_c21 PLASMINOGEN user 1 3 RMSD = 1.50 A TRANSFORM -0.0533 -0.3768 -0.9247 0.9583 -0.2796 0.0587 0.2807 0.8831 -0.3760 10.642 -13.933 -36.073 B 603 HIS A 83 HIS^? B 646 ASP A 28 ASP~? B 739 GLY A 67 GLY~? ULMNm 3 1am5_c04 PEPSIN user 1 3 RMSD = 1.50 A TRANSFORM -0.9197 0.3234 -0.2225 -0.3264 -0.3152 0.8911 -0.2181 -0.8922 -0.3955 18.442 -9.231 203.111 32 ASP A 28 ASP~? 35 SER A 25 SER~? 215 ASP A 31 ASP~?